N-(2-adamantyl)-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide

Systemtic Name: N-(2-adamantyl)-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-(2-adamantyl)-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxamide CAS Name: N-(2-adamantyl)-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxamide IUPAC Name: N-(2-adamantyl)-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-(2-adamantyl)-2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninamide Formula: C37H46N4O MolecularWeight: 562.78734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC6C7CC8CC(C7)CC6C8

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC6C7CC8CC(C7)CC6C8

InChI

InChI=1S/C37H46N4O/c42-37(39-35-28-20-25-19-26(22-28)23-29(35)21-25)34-31-11-5-6-12-33(31)38-36(27-9-3-1-4-10-27)32(34)24-40-17-13-30(14-18-40)41-15-7-2-8-16-41/h1,3-6,9-12,25-26,28-30,35H,2,7-8,13-24H2,(H,39,42)